SMILES:
N#CC=CCCCCCC(=O)OMolecular Processing
Molecular formula
C9H13NO2
Molecular weight
167.21
Exact mass
167.0946
XLogP
2.1
TPSA
61.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
45.47
Supplementary Information
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